N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide

C18H24N2O2 — CID 46570451

IUPACN-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide
SMILESO=C(CC1CCCCC1)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C18H24N2O2/c21-17(11-13-5-2-1-3-6-13)19-15-7-4-8-16(12-15)20-18(22)14-9-10-14/h4,7-8,12-14H,1-3,5-6,9-11H2,(H,19,21)(H,20,22)
InChIKeyNSGFBHSDNRKOHZ-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.94
Rot. Bonds5

About N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide

N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide (PubChem CID 46570451) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide
PubChem CID46570451
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide
SMILESO=C(CC1CCCCC1)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C18H24N2O2/c21-17(11-13-5-2-1-3-6-13)19-15-7-4-8-16(12-15)20-18(22)14-9-10-14/h4,7-8,12-14H,1-3,5-6,9-11H2,(H,19,21)(H,20,22)
InChIKeyNSGFBHSDNRKOHZ-UHFFFAOYSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-N-(3-phenylphenyl)acetamide
CID 53348155
N-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide
CID 114307300
3-[(2-cycloheptylacetyl)amino]benzoic acid
CID 115909872
2-cyclohexyl-N-(3-nitrophenyl)acetamide
CID 1121006
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263
N-[3-[(2-cyclopentylacetyl)amino]phenyl]benzamide
CID 54786112
N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873
N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide
CID 47022982
N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide
CID 28620674
N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide
CID 47309445
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide
CID 17222847

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide (CID 46570451) is N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide is O=C(CC1CCCCC1)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide?
The InChIKey is NSGFBHSDNRKOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-17(11-13-5-2-1-3-6-13)19-15-7-4-8-16(12-15)20-18(22)14-9-10-14/h4,7-8,12-14H,1-3,5-6,9-11H2,(H,19,21)(H,20,22).
What are the key properties of N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide?
N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide has a molecular weight of 300.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46570451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).